structure of 4-{2-[4-(Trifluoromethyl)piperidino]acetyl}-1H-pyrrole-2-carbaldehyde

4-{2-[4-(Trifluoromethyl)piperidino]acetyl}-1H-pyrrole-2-carbaldehyde

CAS No.: 1000339-90-1
M. Wt: 288.27
M. Fa: C13H15F3N2O2
InChI Key: MNSUSUVIFGCERK-UHFFFAOYSA-N

Names and Identifiers of 1000339-90-1

CAS Number

1000339-90-1

IUPAC Name

4-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carbaldehyde

InChI

InChI=1S/C13H15F3N2O2/c14-13(15,16)10-1-3-18(4-2-10)7-12(20)9-5-11(8-19)17-6-9/h5-6,8,10,17H,1-4,7H2

InChIKey

MNSUSUVIFGCERK-UHFFFAOYSA-N

Canonical SMILES

C1CN(CCC1C(F)(F)F)CC(=O)C2=CNC(=C2)C=O

Physical and chemical properties of 1000339-90-1

Boiling Point

408.1±45.0 °C(Predicted)

Density

1.325±0.06 g/cm3(Predicted)

Melting Point

142～144℃

Molecular Formula

C13H15F3N2O2

Molecular Weight

288.27

Interaction Studies of 1000339-90-1

Studies on interaction profiles indicate that 4-{2-[4-(Trifluoromethyl)piperidino]acetyl}-1H-pyrrole-2-carbaldehyde can interact with biological targets involved in cancer progression. Its derivatives have been shown to inhibit specific pathways critical for tumor growth, suggesting potential as a lead compound in cancer therapy.

Biological Activity of 1000339-90-1

Research indicates that 4-{2-[4-(Trifluoromethyl)piperidino]acetyl}-1H-pyrrole-2-carbaldehyde exhibits promising biological activity. Notably, its derivatives have shown cytotoxic effects against several cancer cell lines. The trifluoromethyl group enhances lipophilicity, potentially improving the compound's bioavailability and efficacy in therapeutic applications.